Palmitoleic Acid
Grundinformationen
- CAS
184708-66-5- Standard-SMILES
CCCCCC/C=C\CCCCCCCC(=O)O- InChIKey
SECPZKHBENQXJG-FPLPWBNLSA-N- Summenformel
- C16H30O2
- Durchschnittliche Molmasse
- 254,41 g/mol
Überblick
Palmitoleic acid is a hexadec-9-enoic acid in which the double bond at position C-9 has cis configuration. It has a role as an Escherichia coli metabolite, an EC 3.1.1.1 (carboxylesterase) inhibitor, a Daphnia galeata metabolite, an algal metabolite and a human blood serum metabolite. It is a conjugate acid of a palmitoleate.
Namen und Bezeichner
- Bevorzugter Name
- Palmitoleic Acid
- IUPAC
- (Z)-hexadec-9-enoic acid
- Englischer Name
- Palmitoleic Acid-d14
- Summenformel
- C16H30O2
- Molmasse
- 254.41
Namen und Synonyme
palmitoleic acid373-49-9(Z)-Hexadec-9-enoic acidcis-9-Hexadecenoic acid9-cis-Hexadecenoic acid(9Z)-hexadec-9-enoic acidzoomaric acidcis-Palmitoleic acidOleopalmitic acidcis-9-palmitoleic acidZoomeric acid(9Z)-Hexadecenoic acid
Weitere Namen anzeigen
Palmitoleic Acid-d14SECPZKHBENQXJG-VXXNRCPDSA-N
9Z-hexadecenoic acidDTXSID0041197CHEBI:28716209B6YPZ4IDTXCID802119716:1(N-7)NSC-277452C16:1 trans-9
Datenbank-Bezeichner
- CAS
184708-66-5- ChEMBL
CHEMBL453509- ChEBI
CHEBI:28716- UNII
- 209B6YPZ4I
- EC Number
- 206-765-9
- Nikkaji
- J12.503B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,4
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 209
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point-0.1 °C
Physical DescriptionLiquid
Collision Cross Section
168.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0041197]
167.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
167.95 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
167.86 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
167.8 Ų [M-H]-
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Store at -20°C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 26.4% (78 of 295) of reports.
Warning
H315 (73.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 295 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information9-Hexadecenoic acid, (9Z)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
EPA Safer Chemical
Chemical: (Z)-9-Hexadecenoic acid
Chemical: Palmitoleic acid
Hazard Classes and CategoriesSkin Irrit. 2 (73.6%)
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H225
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular
Verwendung und Herstellung
Household ProductsInformation on 2 consumer products that contain Palmitoleic acid in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Anwendungen
BeschreibungPalmitoleic acid-d14 contains 14 deuterium atoms at the 2, 2’, 3, 3’, 4, 4’, 5, 5’, 6, 6’, 7, 7’, 8, and 8’ positions. It is intended for use as an internal standard for the quantification of palmitoleic acid . Palmitoleic acid is an ω-7 monounsaturated fatty acid that is a common constituent of the triglycerides of human adipose tissue. It is found mainly in animal fats, particularly in fish and marine mammals, and is also present in the seeds of plants of the Proteaceae family. In contrast to a diet enriched with oleic acid , palmitoleic acid-based diets raise low density lipoprotein (LDL) cholesterol and lower high density lipoprotein (HDL) cholesterol much like that of a saturated fatty acid, even when dietary intake of cholesterol is maintained at a low level.
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